Basic information
- CAS
6101-56-0- Standard SMILES
COC(=O)c1ccc(C=C2SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1- InChIKey
ATFJIOFVWHXSTI-UHFFFAOYSA-N- Molecular formula
- C18H12Cl2N2O3S
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 405.9945688
Names & identifiers
- Preferred name
- Methyl 4-{[2-(2,3-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoate
- IUPAC
- methyl 4-[[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
Names & synonyms
CBMicro_048910DTXSID30387290Methyl 4-{[2-(2,3-dichloroanilino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoate
Database identifiers
- CAS
6101-56-0- PubChem CID
- 135402425
- DTXSID
DTXSID30387290
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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